![ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate structure](/static/products/797/797019-69-3.png)
ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate
TL;DR: ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate (CAS 797019-69-3) is a chemical compound with molecular formula C28H21N5O4 and molecular weight 491.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[17-(4-methoxyphenyl)-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-13-yl]benzoate
Also Known As: ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate, ethyl 4-[11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl]benzoate
| Molecular Formula | C28H21N5O4 |
|---|---|
| Molecular Weight | 491.16 g/mol |
| LogP | 4.4581 |
| Topological Polar Surface Area | 101.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.15936 |
| Heavy Atoms | 37 |
| Complexity | 1855.2789 |
Chemical Identifiers
| CAS Number | 797019-69-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC=C(C=C6)OC |
Product Overview
ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate (CAS 797019-69-3), with molecular formula C28H21N5O4 and molecular weight 491.16 g/mol. IUPAC: ethyl 4-[17-(4-methoxyphenyl)-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-13-yl]benzoate.
Chemical Property Profile of ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate
Property Insights of ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate
The XLogP value of 4.4581 indicates that ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate?
The CAS number of ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate is 797019-69-3.
What is the molecular formula of ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate?
The molecular formula of ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate is C28H21N5O4.
What is the molecular weight of ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate?
The molecular weight of ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate is 491.16 g/mol.
Where can I buy ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate?
You can request a quote for ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(11-(4-methoxyphenyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.